[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl] 4-tert-butylsilyloxypiperidine-1-carboxylate

C21H34N2O5Si — CID 152781228

IUPAC[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl] 4-tert-butylsilyloxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)Nc1ccc(OC(=O)N2CCC(O[SiH2]C(C)(C)C)CC2)cc1
InChIInChI=1S/C21H34N2O5Si/c1-20(2,3)27-18(24)22-15-7-9-16(10-8-15)26-19(25)23-13-11-17(12-14-23)28-29-21(4,5)6/h7-10,17H,11-14,29H2,1-6H3,(H,22,24)
InChIKeyGWOWGHYRMMSMPY-UHFFFAOYSA-N
MW422.60 g/mol
LogP4.32
Rot. Bonds4

About [4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl] 4-tert-butylsilyloxypiperidine-1-carboxylate

[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl] 4-tert-butylsilyloxypiperidine-1-carboxylate (PubChem CID 152781228) has the molecular formula C21H34N2O5Si and a molecular weight of 422.60 g/mol. Its IUPAC name is [4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl] 4-tert-butylsilyloxypiperidine-1-carboxylate.

Molecular Properties

Compound Name[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl] 4-tert-butylsilyloxypiperidine-1-carboxylate
PubChem CID152781228
Molecular FormulaC21H34N2O5Si
Molecular Weight422.60 g/mol
Exact Mass422.22
IUPAC Name[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl] 4-tert-butylsilyloxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)Nc1ccc(OC(=O)N2CCC(O[SiH2]C(C)(C)C)CC2)cc1
InChIInChI=1S/C21H34N2O5Si/c1-20(2,3)27-18(24)22-15-7-9-16(10-8-15)26-19(25)23-13-11-17(12-14-23)28-29-21(4,5)6/h7-10,17H,11-14,29H2,1-6H3,(H,22,24)
InChIKeyGWOWGHYRMMSMPY-UHFFFAOYSA-N
XLogP4.32
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.60
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl] 4-tert-butylsilyloxypiperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]piperidine-1-carboxylate
CID 23366945
[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl] N,N-dimethylcarbamate
CID 135073898
tert-butyl (3S)-3-[(4-iodophenyl)carbamoyloxy]pyrrolidine-1-carboxylate
CID 169298617
tert-butyl N-[4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]phenyl]carbamate
CID 122170309
tert-butyl (3R)-3-[4-(phenoxycarbonylamino)phenyl]pyrrolidine-1-carboxylate
CID 175718295
tert-butyl (3S)-3-[4-(phenoxycarbonylamino)phenyl]pyrrolidine-1-carboxylate
CID 67238679
bis[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl] benzene-1,4-dicarboxylate
CID 168866198
tert-butyl 4-[(4-chlorophenoxy)carbonylamino]piperidine-1-carboxylate
CID 127548323
tert-butyl N-[4-[2-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]-2-oxoethyl]phenyl]carbamate
CID 46558468
tert-butyl N-[4-[4-(cyclopropanecarbonylamino)piperidine-1-carbonyl]phenyl]carbamate
CID 46443258
tert-butyl 4-[(4-fluorophenyl)carbamoylamino]oxypiperidine-1-carboxylate
CID 86652735
4-O-tert-butyl 1-O-(4-methylphenyl) piperazine-1,4-dicarboxylate
CID 89003645

Frequently Asked Questions

What is the IUPAC name of [4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl] 4-tert-butylsilyloxypiperidine-1-carboxylate?
The IUPAC name of [4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl] 4-tert-butylsilyloxypiperidine-1-carboxylate (CID 152781228) is [4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl] 4-tert-butylsilyloxypiperidine-1-carboxylate.
What is the SMILES notation for [4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl] 4-tert-butylsilyloxypiperidine-1-carboxylate?
The canonical SMILES for [4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl] 4-tert-butylsilyloxypiperidine-1-carboxylate is CC(C)(C)OC(=O)Nc1ccc(OC(=O)N2CCC(O[SiH2]C(C)(C)C)CC2)cc1.
What is the InChIKey of [4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl] 4-tert-butylsilyloxypiperidine-1-carboxylate?
The InChIKey is GWOWGHYRMMSMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O5Si/c1-20(2,3)27-18(24)22-15-7-9-16(10-8-15)26-19(25)23-13-11-17(12-14-23)28-29-21(4,5)6/h7-10,17H,11-14,29H2,1-6H3,(H,22,24).
What are the key properties of [4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl] 4-tert-butylsilyloxypiperidine-1-carboxylate?
[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl] 4-tert-butylsilyloxypiperidine-1-carboxylate has a molecular weight of 422.60 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl] 4-tert-butylsilyloxypiperidine-1-carboxylate is sourced from PubChem (CID 152781228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).